8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine

C86H99Cl5F3N9O13 — CID 161059702

About 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine

8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine (PubChem CID 161059702) has the molecular formula C86H99Cl5F3N9O13 and a molecular weight of 1701.05 g/mol. Its IUPAC name is 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine.

Molecular Properties

• Compound Name: 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine
• PubChem CID: 161059702
• Molecular Formula: C86H99Cl5F3N9O13
• Molecular Weight: 1701.05 g/mol
• Exact Mass: 1697.58
• IUPAC Name: 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine
• SMILES: CC(C)Oc1cc(OCC(F)(F)F)nc2c(Cl)cccc12.CC(C)Oc1cc(OCCN2CCOCC2)nc2c(Cl)cccc12.CCNc1cc(OC(C)C)c2cccc(Cl)c2n1.COCCOc1cc(OC(C)C)c2cccc(Cl)c2n1.COc1cc(OC(C)C)c2cccc(Cl)c2n1.COc1ccc2c(OC(C)C)nncc2c1
• InChI: InChI=1S/C18H23ClN2O3.C15H18ClNO3.C14H13ClF3NO2.C14H17ClN2O.C13H14ClNO2.C12H14N2O2/c1-13(2)24-16-12-17(20-18-14(16)4-3-5-15(18)19)23-11-8-21-6-9-22-10-7-21;1-10(2)20-13-9-14(19-8-7-18-3)17-15-11(13)5-4-6-12(15)16;1-8(2)21-11-6-12(20-7-14(16,17)18)19-13-9(11)4-3-5-10(13)15;1-4-16-13-8-12(18-9(2)3)10-6-5-7-11(15)14(10)17-13;1-8(2)17-11-7-12(16-3)15-13-9(11)5-4-6-10(13)14;1-8(2)16-12-11-5-4-10(15-3)6-9(11)7-13-14-12/h3-5,12-13H,6-11H2,1-2H3;4-6,9-10H,7-8H2,1-3H3;3-6,8H,7H2,1-2H3;5-9H,4H2,1-3H3,(H,16,17);4-8H,1-3H3;4-8H,1-3H3
• InChIKey: UDFUFTJHJCSCLM-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 225.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1701.05
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine?

The IUPAC name of 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine (CID 161059702) is 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine.

What is the SMILES notation for 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine?

The canonical SMILES for 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine is CC(C)Oc1cc(OCC(F)(F)F)nc2c(Cl)cccc12.CC(C)Oc1cc(OCCN2CCOCC2)nc2c(Cl)cccc12.CCNc1cc(OC(C)C)c2cccc(Cl)c2n1.COCCOc1cc(OC(C)C)c2cccc(Cl)c2n1.COc1cc(OC(C)C)c2cccc(Cl)c2n1.COc1ccc2c(OC(C)C)nncc2c1.

What is the InChIKey of 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine?

The InChIKey is UDFUFTJHJCSCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3.C15H18ClNO3.C14H13ClF3NO2.C14H17ClN2O.C13H14ClNO2.C12H14N2O2/c1-13(2)24-16-12-17(20-18-14(16)4-3-5-15(18)19)23-11-8-21-6-9-22-10-7-21;1-10(2)20-13-9-14(19-8-7-18-3)17-15-11(13)5-4-6-12(15)16;1-8(2)21-11-6-12(20-7-14(16,17)18)19-13-9(11)4-3-5-10(13)15;1-4-16-13-8-12(18-9(2)3)10-6-5-7-11(15)14(10)17-13;1-8(2)17-11-7-12(16-3)15-13-9(11)5-4-6-10(13)14;1-8(2)16-12-11-5-4-10(15-3)6-9(11)7-13-14-12/h3-5,12-13H,6-11H2,1-2H3;4-6,9-10H,7-8H2,1-3H3;3-6,8H,7H2,1-2H3;5-9H,4H2,1-3H3,(H,16,17);4-8H,1-3H3;4-8H,1-3H3.

What are the key properties of 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine?

8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine has a molecular weight of 1701.05 g/mol, XLogP of 21.92, 26 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-N-ethyl-4-propan-2-yloxyquinolin-2-amine;8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-methoxy-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;6-methoxy-1-propan-2-yloxyphthalazine is sourced from PubChem (CID 161059702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).